Cas no 5449-32-1 (3-cyclohexyl-3-hydroxy-2-phenylpropanoic acid)
5449-32-1 structure
Product Name:3-cyclohexyl-3-hydroxy-2-phenylpropanoic acid
CAS No:5449-32-1
MF:C15H20O3
MW:248.317504882813
CID:941557
PubChem ID:226152
Update Time:2025-04-19
3-cyclohexyl-3-hydroxy-2-phenylpropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-cyclohexyl-3-hydroxy-2-phenylpropanoic acid
- 3-cyclohexyl-3-hydroxy-2-phenyl-propionic acid; 3-cyclohexyl-3-hydroxy-2-phenyl-butyric acid; AC1L7ZPB; 3-Cyclohexyl-3-hydroxy-2-phenyl-propionsaeure; 3-Cyclohexyl-3-hydroxy-2-phenyl-buttersaeure; NSC400741;
- DTXSID70969670
- NSC16308
- NSC-16308
- 5449-32-1
- 3-Cyclohexyl-3-hydroxy-2-phenyl-propanoic acid
- DS-014170
-
- Inchi： 1S/C15H20O3/c16-14(12-9-5-2-6-10-12)13(15(17)18)11-7-3-1-4-8-11/h1,3-4,7-8,12-14,16H,2,5-6,9-10H2,(H,17,18)
- InChI Key： FELKSHAELBQVRN-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)C1C=CC=CC=1)C1CCCCC1
Computed Properties
- Exact Mass: 248.1413
- Monoisotopic Mass: 248.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.17
- Boiling Point: 410.7°C at 760 mmHg
- Flash Point: 216.3°C
- Refractive Index: 1.565
- PSA: 57.53
- LogP: 2.79600
3-cyclohexyl-3-hydroxy-2-phenylpropanoic acid Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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